3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide

C19H20N4O3 — CID 99932489

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cn2cccnc2n1
InChIInChI=1S/C19H20N4O3/c1-2-14(15-11-23-9-3-8-20-19(23)22-15)21-18(24)7-5-13-4-6-16-17(10-13)26-12-25-16/h3-4,6,8-11,14H,2,5,7,12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyAUNHCWGOLVLCGI-AWEZNQCLSA-N
MW352.39 g/mol
LogP2.66
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide (PubChem CID 99932489) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
PubChem CID99932489
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cn2cccnc2n1
InChIInChI=1S/C19H20N4O3/c1-2-14(15-11-23-9-3-8-20-19(23)22-15)21-18(24)7-5-13-4-6-16-17(10-13)26-12-25-16/h3-4,6,8-11,14H,2,5,7,12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyAUNHCWGOLVLCGI-AWEZNQCLSA-N
XLogP2.66
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
CID 90653702
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 95895815
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide
CID 122285341
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86285330
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97133513
3-(1,3-benzodioxol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 91781119
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 97124356
N-benzhydryl-3-(1,3-benzodioxol-5-yl)propanamide
CID 51276777
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 95049494
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide (CID 99932489) is 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide is CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1cn2cccnc2n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
The InChIKey is AUNHCWGOLVLCGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-14(15-11-23-9-3-8-20-19(23)22-15)21-18(24)7-5-13-4-6-16-17(10-13)26-12-25-16/h3-4,6,8-11,14H,2,5,7,12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide is sourced from PubChem (CID 99932489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).